2-[4-(6-chloranyl-1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]ethanenitrile

Systemtic Name: 2-[4-(6-chloranyl-1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]ethanenitrile Openeye Name: 2-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]acetonitrile CAS Name: 2-[4-(6-chloro-1,3-benzothiazol-2-yl)-1-piperazin-1-iumyl]acetonitrile IUPAC Name: 2-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]acetonitrile Traditional Name: 2-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]acetonitrile Formula: C13H14ClN4S+ MolecularWeight: 293.79506

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC#N)C2=NC3=C(S2)C=C(C=C3)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC#N)C2=NC3=C(S2)C=C(C=C3)Cl

InChI

InChI=1S/C13H13ClN4S/c14-10-1-2-11-12(9-10)19-13(16-11)18-7-5-17(4-3-15)6-8-18/h1-2,9H,4-8H2/p+1